Model name: model_name=EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049696564674378
cohesive_energy=3.3687229668997767
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5504119091320937e-19, 2.2559768530363795e-19, 2.7727268828003996e-19, 3.18145816390014e-19, 3.51743460404994e-19, 3.79997845345584e-19, 4.04110603687284e-19, 4.24882823747094e-19, 4.428880847599859e-19, 4.58555770063872e-19, 4.72206314985552e-19, 4.8410568084627e-19, 4.94460548431812e-19, 5.03429533228944e-19, 5.11153626781458e-19, 5.177513901602699e-19, 5.233253626699559e-19, 5.279604596721179e-19, 5.317303812919199e-19, 5.347040211246239e-19, 5.3693745535242e-19, 5.384835558042299e-19, 5.393855812491719e-19, 5.396867904563639e-19, 5.39390387779074e-19, 5.384162643856019e-19, 5.366490635583e-19, 5.339558046365459e-19, 5.30187485193378e-19, 5.25155048385984e-19, 5.1863739383887195e-19, 5.10371764584066e-19, 5.00037725294766e-19, 4.87255560108714e-19, 4.7155422909551395e-19, 4.52360153020194e-19, 4.2896196545725796e-19, 4.0047526490473795e-19, 3.6579615166180794e-19, 3.2351150593728e-19, 2.71794846368394e-19, 2.0827975806673198e-19, 1.2986234423924578e-19, 3.23626862654928e-20, -8.98849930853412e-20, -2.4479977226212796e-19, -4.43631494718162e-19, -7.02721080378936e-19, -1.0470656890881179e-18, -1.515729591535896e-18, -6.4003752175032e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.011712321382131755
Energy: 0.012547347979911229
Energy: 0.06015469125911036
Energy: 0.059982868036845195
Energy: 0.012446575629191077
Energy: 0.01255465431426876
Energy: 0.059873936094781664
Energy: 0.06033845158185481
Energy: 0.059930798535377715
Energy: 0.012557677864161083
Energy: 0.01304578074646722
Energy: 0.059608200691293245
Energy: 0.060515479480988524
Energy: 0.05979800632579689
Energy: 0.060271431970470454
Energy: 0.05998698405103998
Energy: 0.05952155101327524
Energy: 0.060470737922043764
Energy: 0.059623777441743894
Energy: 0.06014770926152555
Energy: 0.059576392362999164
Energy: 0.012416176571123802
Energy: 0.012034022891042545
Energy: 0.05980631530456884
Energy: 0.05972548956501707
Energy: 0.060908848955144264
Energy: 0.012516026016316949
Energy: 0.01204821917640282
Energy: 0.05960923745423935
Energy: 0.05995639788910273
Energy: 0.05974763556904755
Energy: 0.012176630806328033
Energy: 0.012110478316207887
Energy: 0.05923757696891121
Energy: 0.05976166406289848
Energy: 0.05991032717526153
Energy: 0.012233454603616285
Energy: 0.012124575756342787
Energy: 0.05920760335403897
Energy: 0.0596704633772013
Energy: 0.05971980671176333
Energy: 0.05994492827033794
Energy: 0.05967968426515165
Energy: 0.01242421575857965
Energy: 0.01201134095409625
Energy: 0.05947798764099976
Energy: 0.06012225106324922
Energy: 0.06023063616235797
Energy: 0.012384096160368785
Energy: 0.05945241578103894
Energy: 0.05942411448786262
Energy: 0.05934947185593562
Energy: 0.05990877167218752
Energy: 0.01216864117098857
Energy: 0.012418288078276388
Energy: 0.05940762378345206
Energy: 0.05923414341173842
Energy: 0.06012825211094678
Energy: 0.012335027672636379
Energy: 0.012786846380148188
Energy: 0.012807298701858935
Energy: 0.06056510026321349
Energy: 0.05956281118530126
Energy: 0.06082414132217961
Energy: 0.05971116645485164
Energy: 0.012741686350475135
Energy: 0.05984803361872855
Energy: 0.05958046335558669
Energy: 0.06058248932676756
Energy: 0.05963834358632603

minimum gb energy = 0.011712321382131755 eV
minimum distance =  2.82990907285632 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.5197021378120215
Energy: 0.3920030078350037
Energy: 0.37589223884235756
Energy: 0.3798626720784208
Energy: 0.39399031574015936
Energy: 0.39618837020272474
Energy: 0.3775724425674948
Energy: 0.37592057155953784
Energy: 0.38037561227593375
Energy: 0.3860517947688186
Energy: 0.3625965338038331
Energy: 0.44324556453591585
Energy: 0.41071631720163104
Energy: 0.38033973084487377
Energy: 0.36273240152479225
Energy: 0.3700930824488444
Energy: 0.4185017795947439
Energy: 0.4080907500198834
Energy: 0.38039255803787453
Energy: 0.36341220130757756
Energy: 0.3800404367861854
Energy: 0.4028080885002925
Energy: 0.35516514285902545
Energy: 0.37670979556804696
Energy: 0.36040249970291943
Energy: 0.3594445583093052
Energy: 0.40829530697373884
Energy: 0.3525191811421311
Energy: 0.35776544141162786
Energy: 0.3701594683635989
Energy: 0.37030762159225694
Energy: 0.37975113462614335
Energy: 0.42841991434568577
Energy: 0.3701208399635639
Energy: 0.327809808097105
Energy: 0.3544762494234156
Energy: 0.3821592092306449
Energy: 0.3995653046319709
Energy: 0.3641362388473471
Energy: 0.37063469986678854
Energy: 0.4210203193871069
Energy: 0.4415195809438927
Energy: 0.4153613540281694
Energy: 0.3299130826182384
Energy: 0.3630964432818887
Energy: 0.4163634383075687
Energy: 0.44477576013091
Energy: 0.41097258248489593
Energy: 0.3308911749438719
Energy: 0.35344589946487853
Energy: 0.3975726413252648
Energy: 0.38699326436577164
Energy: 0.40524890448119616
Energy: 0.3458372457110826
Energy: 0.4038794918757034
Energy: 0.39671532876663884
Energy: 0.3906179698789423
Energy: 0.41034508788480434
Energy: 0.3285545349037888
Energy: 0.40428035324082817
Energy: 0.4258364985051176
Energy: 0.41131760383346383
Energy: 0.3751805267673137
Energy: 0.33193269137989856
Energy: 0.3889286623749103
Energy: 0.42520589549957954
Energy: 0.41356781798281594
Energy: 0.3835709979022871
Energy: 0.33293337016584157
Energy: 0.39658538280323974
Energy: 0.4299051762041436
Energy: 0.38733312971256767
Energy: 0.36569622921799183
Energy: 0.3967220489264696
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Energy: 0.39653594361943173
Energy: 0.38777312810011433
Energy: 0.3974582956423253
Energy: 0.40112980394242714
Energy: 0.3888222551249061
Energy: 0.40044979408325626
Energy: 0.36939306173845077
Energy: 0.3333980398915948
Energy: 0.4048485775644528
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Energy: 0.3994089307163382
Energy: 0.3692336000625621
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Energy: 0.3727949013613906
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Energy: 0.40209957090679316
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Energy: 0.40146703107909315
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Energy: 0.42062110755286003
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Energy: 0.3999963500808996
Energy: 0.4366303146272485
Energy: 0.4155392015302781
Energy: 0.33773148133652786
Energy: 0.3335516464316775
Energy: 0.3996884289676166
Energy: 0.43741144672784726
Energy: 0.4120264185185453
Energy: 0.4664276511614657
Energy: 0.38604404852632984
Energy: 0.3944031286418824
Energy: 0.40267373042670923
Energy: 0.39189590842714506
Energy: 0.46614767793837714
Energy: 0.38623840204003845
Energy: 0.39484694269556386
Energy: 0.41230461950783676
Energy: 0.38878591872383883
Energy: 0.31318429570088135
Energy: 0.44523313264461944
Energy: 0.4071595727952015
Energy: 0.40104541721649944
Energy: 0.33507647536304264
Energy: 0.31319871191732707
Energy: 0.45761193156999874
Energy: 0.4498220674627823
Energy: 0.40203442461138106
Energy: 0.33315652456880285
Energy: 0.3292713971693147
Energy: 0.40294710109239057
Energy: 0.3505280305228356
Energy: 0.3294978953377477
Energy: 0.32800042465767726
Energy: 0.33648258819105087
Energy: 0.35321797341964684
Energy: 0.3472470172784672
Energy: 0.33240103194404413
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Energy: 0.34852684704610715
Energy: 0.34662779078758654
Energy: 0.33044729836414577
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Energy: 0.355476310148189
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Energy: 0.34684012821507976
Energy: 0.334454209612568
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Energy: 0.4108370286640838
Energy: 0.45025219187692844
Energy: 0.41222165579993114
Energy: 0.37859822905527435
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Energy: 0.41172104425281536
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Energy: 0.41962879940716347
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Energy: 0.33179506477071524
Energy: 0.40325442239184184
Energy: 0.3870246914625285
Energy: 0.4093360522966036
Energy: 0.3300998301420283
Energy: 0.39043416393212504
Energy: 0.40182164239753343
Energy: 0.3857805473672966
Energy: 0.40849707303230853
Energy: 0.4205425562303814
Energy: 0.40940603860891495
Energy: 0.4333954720792318
Energy: 0.4403636234169898
Energy: 0.40939731542815117
Energy: 0.34553232087933844
Energy: 0.40503525773040444
Energy: 0.43449144752450986
Energy: 0.4389191891695222
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Energy: 0.35328743592058154
Energy: 0.4047635532995681
Energy: 0.42992386974645924
Energy: 0.38698963911627887
Energy: 0.38267849078179617
Energy: 0.37465131021651005
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Energy: 0.3973559058546503
Energy: 0.3877557674261745
Energy: 0.36382622847138985
Energy: 0.42699931909084154
Energy: 0.3997058887887028
Energy: 0.3899998838794434
Energy: 0.3867145804433
Energy: 0.32736876611931437
Energy: 0.39009595602173835
Energy: 0.39754953112611496
Energy: 0.3900209864858225
Energy: 0.35934187254094585
Energy: 0.3505281911231668
Energy: 0.4129660398724234
Energy: 0.39837023365188484
Energy: 0.36210228317640225
Energy: 0.3573031844635496
Energy: 0.33020630011239654
Energy: 0.3725733168451359
Energy: 0.3503099100648335
Energy: 0.3592874220229282
Energy: 0.3534215418432727
Energy: 0.3512574556630575
Energy: 0.3679301544588383
Energy: 0.3553836307922987
Energy: 0.37379090242292834
Energy: 0.335948379535642
Energy: 0.3690238485521564
Energy: 0.3491159655852961
Energy: 0.37176624533719643
Energy: 0.36582284707316304
Energy: 0.3502191873607497
Energy: 0.37276780226479184
Energy: 0.3512871092803321
Energy: 0.3318480929803507
Energy: 0.4561651682321045
Energy: 0.32910843901076264
Energy: 0.33193561213470035
Energy: 0.37763362272561474
Energy: 0.3769659376588495
Energy: 0.426336513285336
Energy: 0.3340140904237427
Energy: 0.3495795085143792
Energy: 0.38921246541548027
Energy: 0.37991360153033643
Energy: 0.40061786220168794
Energy: 0.4200871239377024
Energy: 0.41059102997303354
Energy: 0.3929281343364114
Energy: 0.41240824828193146
Energy: 0.38986261898589886
Energy: 0.3811632596259562
Energy: 0.4098616659591216
Energy: 0.3895752974146367
Energy: 0.4160778793797967
Energy: 0.374692646983547
Energy: 0.3606242289904879
Energy: 0.3754241437353235
Energy: 0.4180752021578501
Energy: 0.41307979867776684
Energy: 0.3643105974694566
Energy: 0.3616165488523074
Energy: 0.41596224493787687
Energy: 0.41211866206277914
Energy: 0.4139702952135962
Energy: 0.44049668421478666
Energy: 0.37534562438028746
Energy: 0.3797668185725879
Energy: 0.38104428929588186
Energy: 0.38535769907165346
Energy: 0.4580259515122701
Energy: 0.37397337025613475
Energy: 0.3777680927027268
Energy: 0.3803490120044247
Energy: 0.39054230021007974

minimum gb energy = 0.31318429570088135 eV
minimum distance =  2.57082741524845 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.7484038547259534
Energy: 0.3547291185925154
Energy: 0.3603265544134336
Energy: 0.3794477376716602
Energy: 0.3633934308849033
Energy: 0.36304662093197765
Energy: 0.3702582623391004
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Energy: 0.3395373676388384
Energy: 0.36838118016186255
Energy: 0.3626780922334467
Energy: 0.37582574398596347
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Energy: 0.3640810682045668
Energy: 0.35077731780136273
Energy: 0.35961288578591555
Energy: 0.37879005147247374
Energy: 0.3648531126014634
Energy: 0.37830705783736923
Energy: 0.39007045913178684
Energy: 0.3553914239030439
Energy: 0.37859329817768483
Energy: 0.355496312173993
Energy: 0.36036957797135927
Energy: 0.38870392673151916
Energy: 0.35712153684363757
Energy: 0.3608728368304744
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Energy: 0.3597749194398782
Energy: 0.36006494079081974
Energy: 0.3840842543107919
Energy: 0.358285380944339
Energy: 0.3602507055118672
Energy: 0.36697200414166464
Energy: 0.36467424649327307
Energy: 0.35232914478241467
Energy: 0.39741172051732043
Energy: 0.363126673872182
Energy: 0.36633114544138423
Energy: 0.3512021258115299
Energy: 0.4351105653196122
Energy: 0.408620794512389
Energy: 0.35997391605018925
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Energy: 0.376650236912958
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Energy: 0.34643850880339583
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Energy: 0.399079948595896
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Energy: 0.412287999317344
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Energy: 0.3623025054606067
Energy: 0.4302574765228283
Energy: 0.3656617637874934
Energy: 0.36979586539553416
Energy: 0.3617271245897712
Energy: 0.35791506389347194
Energy: 0.4247618141972485
Energy: 0.37360237949787906
Energy: 0.3685901932458589
Energy: 0.362949904909766
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Energy: 0.3961342348782753
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minimum gb energy = 0.3395373676388384 eV
minimum distance =  2.60158086078673 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.41707118437022456
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Energy: 0.36030345236232936
Energy: 0.3682630700028585
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Energy: 0.3607405432428902
Energy: 0.3700315852557772
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Energy: 0.37111086617396055
Energy: 0.35831726204275577
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Energy: 0.37212679029811696
Energy: 0.37901608150502714
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Energy: 0.35389539165516115
Energy: 0.37884002597558536
Energy: 0.4292693717353607
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Energy: 0.36646439560795363
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Energy: 0.374460165508011
Energy: 0.3728815392280552
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Energy: 0.3664075355562326
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Energy: 0.37596022088804043
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Energy: 0.3595576941427303
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Energy: 0.36923241169377025
Energy: 0.37552254562930254
Energy: 0.37792510587141553
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Energy: 0.37089403249516323
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Energy: 0.35919468731052834
Energy: 0.3570218202508544
Energy: 0.37832686057778964
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Energy: 0.40201277632996846
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Energy: 0.3728862250270073
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Energy: 0.3671059474939256
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Energy: 0.36632629361767816
Energy: 0.37625514006130584
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Energy: 0.37213479419007967
Energy: 0.36323565100922683
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Energy: 0.35659426424941937
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Energy: 0.3919467746482229
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Energy: 0.3773437729564459
Energy: 0.383927263772382
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Energy: 0.36084868138644577
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Energy: 0.34627977098370055
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Energy: 0.3671775250047451
Energy: 0.3594610046552906
Energy: 0.37093943003616286
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Energy: 0.36359523892251666
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Energy: 0.355490565426664
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Energy: 0.3776357322477481
Energy: 0.36624057377115
Energy: 0.39303379783751813
Energy: 0.38231189776037905
Energy: 0.37157662922842694
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Energy: 0.35815617635762226
Energy: 0.39303196962758474
Energy: 0.3819166743917086
Energy: 0.3657538352298884
Energy: 0.3726376644481041
Energy: 0.3600113047335332
Energy: 0.3553211860315082
Energy: 0.38551461620686484
Energy: 0.37172778435967213
Energy: 0.38075877418371656
Energy: 0.3580236960818914
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Energy: 0.37197993309264266
Energy: 0.36034388835113373
Energy: 0.3601180415200044
Energy: 0.3534222913361122
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Energy: 0.40988407297731044
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Energy: 0.3590742888571424
Energy: 0.39328230982765194
Energy: 0.362503990820617
Energy: 0.3609652870243645
Energy: 0.36553011835605254
Energy: 0.35872548937281057
Energy: 0.3887833666194575
Energy: 0.37270773166598664
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Energy: 0.36562090565002514
Energy: 0.36258888002802947
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Energy: 0.37016493848539916
Energy: 0.3663634074556161
Energy: 0.377317305648965
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Energy: 0.36919601568323984
Energy: 0.44606941675471823
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Energy: 0.37317659762381167
Energy: 0.3701289349057922
Energy: 0.36972977290553244
Energy: 0.3774302368822355
Energy: 0.37130785589566795
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Energy: 0.3572256564584307
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Energy: 0.37277102457839945
Energy: 0.37150039152793146
Energy: 0.37827099986552165
Energy: 0.3564021237052254
Energy: 0.4141946338098443
Energy: 0.35385602516141795
Energy: 0.3780268053822046
Energy: 0.36942432246186546
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Energy: 0.3823003661388915
Energy: 0.354794819496826
Energy: 0.3737891555142222
Energy: 0.36943619851420473
Energy: 0.36951161714399083
Energy: 0.3789823165536845
Energy: 0.40381696464035366
Energy: 0.3769657481197209
Energy: 0.3717711380288177
Energy: 0.39358688750541454
Energy: 0.37483421947352885
Energy: 0.44036563705171095
Energy: 0.38654824867827875
Energy: 0.37173311319053415
Energy: 0.3695420467135757
Energy: 0.37480312971513463
Energy: 0.3872072326222612
Energy: 0.37761193729175363
Energy: 0.36453986400602495
Energy: 0.3836846300786813
Energy: 0.3710645965814744
Energy: 0.3733022978311194
Energy: 0.37526145291813445
Energy: 0.39354794040200436
Energy: 0.3807640704125701
Energy: 0.3814123308909873
Energy: 0.3749105494556029
Energy: 0.3871078122769532
Energy: 0.3842096708025945
Energy: 0.3712215004586514
Energy: 0.3846396190284511
Energy: 0.36744120669041663
Energy: 0.38591069720933113
Energy: 0.38643141771065725
Energy: 0.3698371838519889
Energy: 0.3796792442507298
Energy: 0.37166365230084203
Energy: 0.35805292074841644
Energy: 0.3704565694724218
Energy: 0.3702162126385181
Energy: 0.3576903512255321
Energy: 0.3761687147394645
Energy: 0.3566854725679426
Energy: 0.3683875532538651
Energy: 0.370130329199349
Energy: 0.3876254690758409
Energy: 0.38726962292906936
Energy: 0.38072284691872277
Energy: 0.37224932543413397
Energy: 0.37297110704921044
Energy: 0.3710497396354833
Energy: 0.38597596000149914
Energy: 0.36095586558879383
Energy: 0.3717941244103883
Energy: 0.3960644616266295
Energy: 0.37087351740042074
Energy: 0.3757997050948291
Energy: 0.37562510869673
Energy: 0.3757155943372372
Energy: 0.37710953708362405
Energy: 0.39746198060529475
Energy: 0.3688159895858326
Energy: 0.37571452447879694
Energy: 0.39837391801806316
Energy: 0.3778234487935537
Energy: 0.39315320594629866
Energy: 0.36835298971938646
Energy: 0.3840718757168217
Energy: 0.35936239066112374
Energy: 0.37518633320232264
Energy: 0.3717692809951375
Energy: 0.34998441363510885
Energy: 0.38127488026368395
Energy: 0.35871156036430885
Energy: 0.3801642873354801
Energy: 0.3883754445263374
Energy: 0.39421218702953714
Energy: 0.35389604197905195
Energy: 0.37516659824306975
Energy: 0.3695686513947138
Energy: 0.3553017010446706
Energy: 0.3726688926339492
Energy: 0.3548415501816067
Energy: 0.3695550219013093
Energy: 0.3695178607310668
Energy: 0.3772879235589982

minimum gb energy = 0.34600210698891537 eV
minimum distance =  2.58593790679726 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.48632369924883073
Energy: 0.3547343001272067
Energy: 0.34514607683376597
Energy: 0.3536837790262361
Energy: 0.3531849209876083
Energy: 0.32847753114196176
Energy: 0.36035185593245994
Energy: 0.3551916856097097
Energy: 0.36041981372980153
Energy: 0.37355844365781843
Energy: 0.3436210950631178
Energy: 0.37124958741064135
Energy: 0.35710199920565483
Energy: 0.35274762914114194
Energy: 0.3567036304361146
Energy: 0.35756848678369424
Energy: 0.3456254978264642
Energy: 0.3633456741786197
Energy: 0.36182899927540646
Energy: 0.3906001075955102
Energy: 0.35816925638142966
Energy: 0.3607440760371261
Energy: 0.35844156142039585
Energy: 0.3589581891474774
Energy: 0.3882288169159771
Energy: 0.34160369196096785
Energy: 0.36453393984505866
Energy: 0.3865731489302431
Energy: 0.3617242473920134
Energy: 0.35951761034488083
Energy: 0.402981618785399
Energy: 0.37274704925345675
Energy: 0.3726154168209074
Energy: 0.3438121854403697
Energy: 0.3485753192534335
Energy: 0.40801061650394915
Energy: 0.3624520881794808
Energy: 0.34533315044702595
Energy: 0.3592223722697721
Energy: 0.3568052847805897
Energy: 0.3886330112743045
Energy: 0.36291561420136126
Energy: 0.3590093600594917
Energy: 0.3589267095487419
Energy: 0.34053411891313135
Energy: 0.3608042242461607
Energy: 0.34979152526727114
Energy: 0.3581544402365554
Energy: 0.3556422132029245
Energy: 0.3540933794567095
Energy: 0.3587249172668533
Energy: 0.3484716154308457
Energy: 0.35646575858970525
Energy: 0.3426095107000024
Energy: 0.3405911186485137
Energy: 0.3591310138064092
Energy: 0.3496116488150477
Energy: 0.34179573515911404
Energy: 0.34224363825921306
Energy: 0.35846546811035285
Energy: 0.37619805500839976
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Energy: 0.3730985140134708
Energy: 0.34059485090109914
Energy: 0.34310267793440624
Energy: 0.37552252900331345
Energy: 0.3781998476084095
Energy: 0.3642682716146215
Energy: 0.3410519416953119
Energy: 0.3408049785992454
Energy: 0.3764081850098942
Energy: 0.4047415561992107
Energy: 0.4053082491196087
Energy: 0.360663247919906
Energy: 0.35554310194582484
Energy: 0.36882015773813864
Energy: 0.4083602473014389
Energy: 0.3789624604731282
Energy: 0.32939972181712146
Energy: 0.32870704202784445
Energy: 0.36297630977247225
Energy: 0.36368564506170725
Energy: 0.37513328345221764
Energy: 0.37490845588520133
Energy: 0.32813601442594975
Energy: 0.36492043252462253
Energy: 0.3799537453657967
Energy: 0.37277752068635117
Energy: 0.35087657162730135
Energy: 0.3718926146390831
Energy: 0.3426302054101394
Energy: 0.376390661822427
Energy: 0.3758920046094079
Energy: 0.3752244841496433
Energy: 0.36369827363617946
Energy: 0.341043264984905
Energy: 0.3705781549673064
Energy: 0.37507803615580626
Energy: 0.38029140255450533
Energy: 0.34482020431491395
Energy: 0.3737453481577637
Energy: 0.34158292936256485
Energy: 0.36135507513113585
Energy: 0.3568982423539074
Energy: 0.35942589002226016
Energy: 0.38345527372856375
Energy: 0.3396897132438996
Energy: 0.3576416148870722
Energy: 0.3476477028988875
Energy: 0.3722942073726789
Energy: 0.36284737232799485
Energy: 0.3603298030903311
Energy: 0.3553974425729505
Energy: 0.3441373982262199
Energy: 0.36497126988148754
Energy: 0.3660796235048875
Energy: 0.3637145705935245
Energy: 0.36178348153773104
Energy: 0.3444278618063296
Energy: 0.36562841758632686
Energy: 0.35741665450316773
Energy: 0.3546335489991997
Energy: 0.34171643323132056
Energy: 0.3663785241786262
Energy: 0.379946086208374
Energy: 0.3575307438101109
Energy: 0.36509562165644005
Energy: 0.3662702253995635
Energy: 0.377469279656329
Energy: 0.3661503568006787
Energy: 0.3605814421436722
Energy: 0.3466522997251065
Energy: 0.34604678905822334
Energy: 0.3391612819347221
Energy: 0.34543884384554974
Energy: 0.36211703506616055
Energy: 0.3611077536123294
Energy: 0.3453720184081841
Energy: 0.35175750772438436
Energy: 0.3442764477856938
Energy: 0.35375229092502636
Energy: 0.3660637090211813
Energy: 0.3543884504299251
Energy: 0.3557972607357574
Energy: 0.3560770629749719
Energy: 0.35679057872069436
Energy: 0.36286841978690426
Energy: 0.35350511073350205
Energy: 0.371637092942359

minimum gb energy = 0.32813601442594975 eV
minimum distance =  2.63752533652776 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.327056717386512
Energy: 0.32503898885095966
Energy: 0.31558273679872223
Energy: 0.3136232274726653
Energy: 0.3115056896909805
Energy: 0.31099619127059075
Energy: 0.31002218963763023
Energy: 0.31955047276539794
Energy: 0.32055599591342765
Energy: 0.326993868723511
Energy: 0.33732786320870756
Energy: 0.33366728715301136
Energy: 0.3205413228769187
Energy: 0.3176959957893102
Energy: 0.31509833715851027
Energy: 0.321848968461649
Energy: 0.3199667740851003
Energy: 0.32432063310016296
Energy: 0.3335622949958481
Energy: 0.33301009149094907
Energy: 0.32410275085430285
Energy: 0.31329371188074195
Energy: 0.30483547215480233
Energy: 0.3333013874930835
Energy: 0.3243000824500495
Energy: 0.31210951793993474
Energy: 0.31259452309863206
Energy: 0.31266911053407537
Energy: 0.34242504365177096
Energy: 0.32476589555701985
Energy: 0.3343233802586199
Energy: 0.3324840156598559
Energy: 0.33306704274417737
Energy: 0.32772061636040273
Energy: 0.33803659923479557
Energy: 0.33004080395432595
Energy: 0.32591679588609834
Energy: 0.3146108800496427
Energy: 0.3293424869120333
Energy: 0.3344181808421886
Energy: 0.3247717219290848
Energy: 0.3134376233181464
Energy: 0.33048378668118267
Energy: 0.33212492553878176
Energy: 0.3284038849602789
Energy: 0.3281268470740825
Energy: 0.31290150984465326
Energy: 0.3300185256472041
Energy: 0.3297685489289422
Energy: 0.3670863796358001
Energy: 0.33305075129993184
Energy: 0.3369784926377296
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Energy: 0.319609150373965
Energy: 0.3260504779555207
Energy: 0.3303661242177392
Energy: 0.33766400908388083
Energy: 0.3427252351622603
Energy: 0.34995246256838064
Energy: 0.3427206761525372
Energy: 0.33931254687035356
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Energy: 0.32599234737809096
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Energy: 0.32946748261614217
Energy: 0.3319849137933617
Energy: 0.34946279715219986
Energy: 0.33655228772605983
Energy: 0.33950534474005034
Energy: 0.33392992267196026
Energy: 0.3376336693079442
Energy: 0.3266355044021518
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Energy: 0.36024932990441066
Energy: 0.32900469447144043
Energy: 0.3232221433990295
Energy: 0.3290869392108484
Energy: 0.3288532430723319
Energy: 0.33856202270952174
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Energy: 0.317792521406161
Energy: 0.3286793766853222
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Energy: 0.34555423370344607
Energy: 0.3307465830458685
Energy: 0.33291247449806477
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Energy: 0.3298076827032286
Energy: 0.3233340906262471
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Energy: 0.3369506532588583
Energy: 0.3239938834678278
Energy: 0.3227226148769636
Energy: 0.32400770342064517
Energy: 0.31945221130816387
Energy: 0.3244549408202446
Energy: 0.32115559789264064
Energy: 0.32228087239133224
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Energy: 0.3381690131257275
Energy: 0.3243698130463484
Energy: 0.3059262632238998
Energy: 0.3249937788538632
Energy: 0.3189401424628991
Energy: 0.33866686065902757
Energy: 0.3246547047013413
Energy: 0.3047158002509446
Energy: 0.3337299011438666
Energy: 0.31860177634252185
Energy: 0.32979699146481734
Energy: 0.33344200237275096
Energy: 0.3125660966920123
Energy: 0.3071252458602128
Energy: 0.31126056250933254
Energy: 0.3372732992340721
Energy: 0.34169329307945917
Energy: 0.3353724768311979
Energy: 0.30453890068011313
Energy: 0.32223135322209284
Energy: 0.31870389798753374
Energy: 0.35612485950851824
Energy: 0.34383890960616137
Energy: 0.30658901892580936
Energy: 0.3129469230992924
Energy: 0.31333790867240413
Energy: 0.32326306570104535
Energy: 0.32313584456532735
Energy: 0.3378843778159113
Energy: 0.34732077292176955
Energy: 0.33145338702684174
Energy: 0.31483225767710854
Energy: 0.3228254227755442
Energy: 0.305311577669449
Energy: 0.3725746154252508
Energy: 0.3367000898419328
Energy: 0.30654797270160483
Energy: 0.32956624083322683
Energy: 0.32146539604132957
Energy: 0.33839385111733966
Energy: 0.3324674677835077
Energy: 0.3372798863761059
Energy: 0.3174089098614986
Energy: 0.3147724971366233
Energy: 0.3132765172819255
Energy: 0.313207896359663
Energy: 0.3264147775687558
Energy: 0.33271520420642775
Energy: 0.3260984896555772
Energy: 0.32033355047268625
Energy: 0.3334113497591097
Energy: 0.37464418772078223
Energy: 0.3316419157942791
Energy: 0.3268340256276562
Energy: 0.323086940324503
Energy: 0.3508782291693433
Energy: 0.33314445208076704
Energy: 0.3137239495981651
Energy: 0.32480855340524006
Energy: 0.3251466436192094
Energy: 0.3253362757609792
Energy: 0.33301004497256076
Energy: 0.33187908225825513
Energy: 0.32471635042968844
Energy: 0.3255904108318441
Energy: 0.3312284509230092
Energy: 0.32603352365605354
Energy: 0.3357422687077808
Energy: 0.3549106408405045
Energy: 0.34764750161082275
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Energy: 0.33150940144593194
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Energy: 0.33465246812071603
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Energy: 0.3403194007363395
Energy: 0.32164443410779464
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Energy: 0.3383926716006298
Energy: 0.3366857220385575
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Energy: 0.35556186677181006
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Energy: 0.3256651507925839
Energy: 0.33669761397881853
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Energy: 0.32287087212035603
Energy: 0.3256608992070095
Energy: 0.32687849222612864
Energy: 0.32399234033606805
Energy: 0.3244297827089991
Energy: 0.32600267221233725
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Energy: 0.3344979952749304
Energy: 0.34733842882086235
Energy: 0.3590291801561973
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Energy: 0.334509329995515
Energy: 0.32163406533976774
Energy: 0.347132405102304
Energy: 0.31266757926558025
Energy: 0.33426569758065483
Energy: 0.3348430143709277
Energy: 0.32780102341510897
Energy: 0.3474293333352758
Energy: 0.33463025367917876
Energy: 0.33842641901947645
Energy: 0.3188355911033029
Energy: 0.31870395076112873
Energy: 0.32093299137645365
Energy: 0.3241527250934371
Energy: 0.3248021800865564
Energy: 0.32993672080793096
Energy: 0.32474697982500317
Energy: 0.30349706971606366
Energy: 0.304943644716082
Energy: 0.3386545497500652
Energy: 0.3049303008511429
Energy: 0.30436667062699113
Energy: 0.31314104260429504
Energy: 0.30544788224479247
Energy: 0.32182828251382284
Energy: 0.342597660395073
Energy: 0.32530691258062927
Energy: 0.3215757489595301
Energy: 0.32248851504640474
Energy: 0.3434966272034721
Energy: 0.3177422540443944
Energy: 0.3244812421077061
Energy: 0.30348883726416537
Energy: 0.31241180015947606
Energy: 0.32970222805462907
Energy: 0.3231162034836848
Energy: 0.30553019608268117
Energy: 0.3089043565282151
Energy: 0.3388752108441731
Energy: 0.32206764915853425
Energy: 0.35260548902756433
Energy: 0.3374581567336861
Energy: 0.31438345495672965
Energy: 0.33750116083381154
Energy: 0.3113173586799268
Energy: 0.334834827587492
Energy: 0.339613846184486
Energy: 0.3210692416421596

minimum gb energy = 0.30255555031813497 eV
minimum distance =  2.64589936233092 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.1840866002209728
Energy: 0.1885269476016866
Energy: 0.25150041875408063
Energy: 0.21886845601609933
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Energy: 0.2610653770631786
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Energy: 0.2584513051771233
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Energy: 0.2279452667148619
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Energy: 0.26068555147951145
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Energy: 0.21976336979899985
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Energy: 0.24195244152061698
Energy: 0.2224027804890538
Energy: 0.23527725637845898
Energy: 0.23125624256022614
Energy: 0.24604804106445885
Energy: 0.21837852769143587
Energy: 0.1357008865961408
Energy: 0.23999556453223614
Energy: 0.2595884652432031
Energy: 0.24241126121803175
Energy: 0.2341862920843113
Energy: 0.15710727696220128
Energy: 0.25211423317882214
Energy: 0.2595951764215103
Energy: 0.22245751430515365
Energy: 0.11149616028878884
Energy: 0.1129698167669691
Energy: 0.21662670432485473
Energy: 0.22888945676492217
Energy: 0.2138004654094697
Energy: 0.14818372189590975
Energy: 0.15003119755059002
Energy: 0.2187401917735487
Energy: 0.22933884649825317
Energy: 0.2074626367225628
Energy: 0.2165264181860121
Energy: 0.21644314406284001
Energy: 0.2165410032015674
Energy: 0.2127504990209028
Energy: 0.2179183494607631
Energy: 0.21669935136274907
Energy: 0.24140914962891286
Energy: 0.22045982524355973
Energy: 0.2305697248935935
Energy: 0.21556276889631262
Energy: 0.18809911014628342
Energy: 0.22043609959540914
Energy: 0.21714041946399298
Energy: 0.24350425208600596
Energy: 0.21817229503178712
Energy: 0.11051489025223647
Energy: 0.22258139982786587
Energy: 0.22355204237414492
Energy: 0.24127898750049373
Energy: 0.18519247762811644

minimum gb energy = 0.10990300110425896 eV
minimum distance =  2.64726998911854 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.33609199394106587
Energy: 0.2875678662562772
Energy: 0.3049362307069829
Energy: 0.28676745962546774
Energy: 0.2826676116169562
Energy: 0.30312721875858184
Energy: 0.28505537670796005
Energy: 0.30714266061217765
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Energy: 0.28950030279357536
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Energy: 0.2910376781958726
Energy: 0.28958422112210214
Energy: 0.28503677537834116
Energy: 0.2842057517240276
Energy: 0.2993558222981839
Energy: 0.28616590963280186
Energy: 0.2965764085669692
Energy: 0.28125585517896523
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Energy: 0.2857607907983741
Energy: 0.2911836698876329
Energy: 0.2927377491036628
Energy: 0.2743094762699873
Energy: 0.28700559613592763
Energy: 0.30537989801063664
Energy: 0.29490189497584834
Energy: 0.28407811384612297
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Energy: 0.28181611104414034
Energy: 0.30321090149292546
Energy: 0.28918024538042886
Energy: 0.2889378439879337
Energy: 0.2979418291964704
Energy: 0.2859125566616982
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Energy: 0.28624802318783443
Energy: 0.2956111513356983
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Energy: 0.28605544735791877
Energy: 0.2940382297221184
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Energy: 0.3183188485046869
Energy: 0.2944739054815284
Energy: 0.3010671395757324
Energy: 0.2987591446853623
Energy: 0.30053897070135716
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Energy: 0.33305819935307107
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Energy: 0.29784002916822705
Energy: 0.29680374640184637
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Energy: 0.2954055573716453
Energy: 0.3055484240050313
Energy: 0.2837771579808165
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Energy: 0.2820738505482432
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Energy: 0.30245985255792307
Energy: 0.2894813091654151
Energy: 0.30056074076966544
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Energy: 0.29848144004542654
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Energy: 0.27994481112609626
Energy: 0.2834648303351248
Energy: 0.2908400790545666
Energy: 0.30369802204543467
Energy: 0.3229085995037807

minimum gb energy = 0.2743094762699873 eV
minimum distance =  2.60853007400582 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.35463702422921645
Energy: 0.35701292046036937
Energy: 0.3503906620378561
Energy: 0.35143690502574776
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Energy: 0.3608410338044261
Energy: 0.3620841859489314
Energy: 0.35081641215702447
Energy: 0.34804176568031875
Energy: 0.34545472323057824
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Energy: 0.3644066533561352
Energy: 0.35324600005924867
Energy: 0.34769626908728113
Energy: 0.36465425667823087
Energy: 0.3498096083507915
Energy: 0.39077976960908406
Energy: 0.3691656554165503
Energy: 0.35136194481483163
Energy: 0.3592099571347599
Energy: 0.3728359387021093
Energy: 0.3491300480927688
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Energy: 0.35092540567361674
Energy: 0.35898767515133767
Energy: 0.36085064956466073
Energy: 0.35890885076184087
Energy: 0.3666019195483237
Energy: 0.3369638519286907
Energy: 0.35931798955719674
Energy: 0.3548014754246944
Energy: 0.35881142917376885
Energy: 0.33960068690626827
Energy: 0.3369647743242403
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Energy: 0.3605247460005805
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Energy: 0.3903944977469353
Energy: 0.3726354693008136
Energy: 0.3621212752472568
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Energy: 0.36052661985689893
Energy: 0.39061975601153637
Energy: 0.3666566826883963
Energy: 0.3611392209305411
Energy: 0.3542166648276551
Energy: 0.36187221051728236
Energy: 0.36152028151620014
Energy: 0.36181200282147963
Energy: 0.3624827172729573
Energy: 0.35753220302174443
Energy: 0.3618684955396992
Energy: 0.3605619832772268
Energy: 0.37773617727923875
Energy: 0.3626081183019905
Energy: 0.36060976169538755
Energy: 0.36176881972198927
Energy: 0.3673105709300141
Energy: 0.3599880056348659
Energy: 0.3601377935032606
Energy: 0.3614526196987685
Energy: 0.3625303875770792
Energy: 0.3664917539541904
Energy: 0.36111455399644343
Energy: 0.36146997845346723
Energy: 0.3534392283690176
Energy: 0.36211283888200807
Energy: 0.3513557175282721
Energy: 0.3507534277918892
Energy: 0.35889318622566907
Energy: 0.3543258756398985
Energy: 0.3635277079411938
Energy: 0.3507605752373216
Energy: 0.3509428004800293
Energy: 0.3587256464477364

minimum gb energy = 0.3369638519286907 eV
minimum distance =  2.63950242408688 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 0.3839688012031353 eV
minimum distance =  2.60350231024473 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.38269615914265737
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Energy: 0.39487690679776
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Energy: 0.39368931873280577
Energy: 0.38340510287841095
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Energy: 0.4259557655647742
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Energy: 0.3934619804315199
Energy: 0.38630337603769843
Energy: 0.3956747457466743
Energy: 0.3869422265077405
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Energy: 0.40659923413118965
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Energy: 0.39846089844372745
Energy: 0.3861164876278624
Energy: 0.38947595550236075
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Energy: 0.39484534343150157
Energy: 0.3924971608426614
Energy: 0.3931306468795432
Energy: 0.38935256432535686
Energy: 0.39279438534442296
Energy: 0.3777747519674982
Energy: 0.3917462394732294
Energy: 0.3838337976544267
Energy: 0.40727276686359365
Energy: 0.3770330461931574
Energy: 0.3914035618160781
Energy: 0.3919140578258553
Energy: 0.3868189600657894
Energy: 0.40443524460923513
Energy: 0.3820816514699757
Energy: 0.4025541402134105
Energy: 0.38999085019116464
Energy: 0.3836447726599176
Energy: 0.3879969191906546
Energy: 0.39736626162551564
Energy: 0.4011173182354605
Energy: 0.38939484400611035
Energy: 0.3838216160607456
Energy: 0.38922580934460865
Energy: 0.3780639155682797
Energy: 0.39494501426518985
Energy: 0.3908710594153891
Energy: 0.3828718818416877
Energy: 0.394436380354068
Energy: 0.391092612944643
Energy: 0.3948634328393389
Energy: 0.3916438452031265
Energy: 0.38218984807509904
Energy: 0.3962722625989654
Energy: 0.3852478210017334
Energy: 0.3930923101141164
Energy: 0.3845636807022616
Energy: 0.39609172859837877
Energy: 0.42807529223748003
Energy: 0.39514586251525863
Energy: 0.3924046543488229
Energy: 0.38544056009308847
Energy: 0.39711765136808885
Energy: 0.3926850427280885
Energy: 0.38613481536249405
Energy: 0.3949768115500585
Energy: 0.4047285950073411
Energy: 0.42177803170875106
Energy: 0.3896486286119541
Energy: 0.3860347207520638
Energy: 0.4068397199083353
Energy: 0.4059709831491919
Energy: 0.39776498187024767
Energy: 0.3899827958222425
Energy: 0.3863108390049092
Energy: 0.3967817212168405
Energy: 0.38369625284150277
Energy: 0.40626909162127134
Energy: 0.39682453934532763
Energy: 0.3875347529831354
Energy: 0.3970533173216387
Energy: 0.3873714833355349
Energy: 0.38946862283011474
Energy: 0.3982724545752252
Energy: 0.3869731734811087
Energy: 0.3774164986041436
Energy: 0.4028914662728353
Energy: 0.40244482359455097
Energy: 0.39460872039343814
Energy: 0.3977599757179009
Energy: 0.3812064358113345
Energy: 0.39383233100463144
Energy: 0.39711850525134895
Energy: 0.39431091768082505
Energy: 0.3835460554531803

minimum gb energy = 0.37539018571124744 eV
minimum distance =  2.65610135452988 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.37884252679479563
Energy: 0.38234971012664476
Energy: 0.37304174143329133
Energy: 0.38705126156691827
Energy: 0.3803452273129947
Energy: 0.3794621309695134
Energy: 0.4081871910919118
Energy: 0.37315071292499385
Energy: 0.3863228080764824
Energy: 0.3799965265079406
Energy: 0.36663157804683466
Energy: 0.3815880304598494
Energy: 0.3844345529861579
Energy: 0.3908052287499149
Energy: 0.40529045966401117
Energy: 0.37475217170700004
Energy: 0.38237462316995163
Energy: 0.38801044797551976
Energy: 0.3912382894102704
Energy: 0.404557791683207
Energy: 0.39030628686307295
Energy: 0.3919647812061658
Energy: 0.38720366405356377
Energy: 0.37330267971929343
Energy: 0.3802185201178026
Energy: 0.39075659241089233
Energy: 0.391228597745815
Energy: 0.3823809174756781
Energy: 0.37339539119537224
Energy: 0.3799941916947582
Energy: 0.37500214278651856
Energy: 0.3674019554972711
Energy: 0.38340816754832396
Energy: 0.3904809897310103
Energy: 0.3817453492988086
Energy: 0.3743413111996009
Energy: 0.36698196022311835
Energy: 0.380888147349257
Energy: 0.3905775171204128
Energy: 0.3835331405052834
Energy: 0.40514135444863886
Energy: 0.38274323567033364
Energy: 0.38098960381350205
Energy: 0.3742415933050842
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Energy: 0.38040017602499726
Energy: 0.37439903478604547
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Energy: 0.3861518173390041
Energy: 0.3739299770289275
Energy: 0.38684758638682193
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Energy: 0.37307783091714986
Energy: 0.4060005281149501
Energy: 0.38619282368780056
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Energy: 0.3864584253574314
Energy: 0.3790946179861026
Energy: 0.39093174809107906
Energy: 0.3798395626517432
Energy: 0.37430990222872834
Energy: 0.3871428689464465
Energy: 0.37834254161330616
Energy: 0.3912411710217486
Energy: 0.37968950023517184
Energy: 0.3747966674622781
Energy: 0.4057602630713175
Energy: 0.36965752576269073
Energy: 0.3749654122807477
Energy: 0.3806127922845933
Energy: 0.3841532239249408
Energy: 0.40371322036015994
Energy: 0.370279217675216
Energy: 0.37506319954316
Energy: 0.3800059562785798
Energy: 0.38036309830445786
Energy: 0.37053995627929504
Energy: 0.3886422265713404
Energy: 0.39072482927889424
Energy: 0.36781901799941136
Energy: 0.3800436035522296
Energy: 0.37853325009786076
Energy: 0.39059416261847646
Energy: 0.3909272255852516
Energy: 0.3670430781427449
Energy: 0.38747562033959093
Energy: 0.38651137397144175
Energy: 0.3850344571346067
Energy: 0.3790618032136729
Energy: 0.40369924163091986
Energy: 0.4050624599631393
Energy: 0.3873188884675412
Energy: 0.3896266192466412
Energy: 0.3855174202255249
Energy: 0.403614210582179
Energy: 0.3921640913265739
Energy: 0.36711834608599386
Energy: 0.40489179671299946
Energy: 0.40480044077812394
Energy: 0.38816292811909975
Energy: 0.3821223039347941
Energy: 0.36720016429716396
Energy: 0.4062510257218155
Energy: 0.3852311421156238
Energy: 0.3874638375903189
Energy: 0.3771832723305955
Energy: 0.37886035700207205
Energy: 0.40850369311959284
Energy: 0.37312381285199114
Energy: 0.4068564638044819
Energy: 0.3804498383550193
Energy: 0.3796454976784756
Energy: 0.4069455883592656
Energy: 0.3731734119284635
Energy: 0.405515438272928
Energy: 0.3799918483170793
Energy: 0.38800698352135626
Energy: 0.38118154586726893
Energy: 0.383819100933704
Energy: 0.3912949467982602
Energy: 0.40584497552399323
Energy: 0.37471031805973903
Energy: 0.3826381851082505
Energy: 0.38803318956246097
Energy: 0.39099336406243085
Energy: 0.40331263018996477
Energy: 0.3906678198425623
Energy: 0.39289878336676126
Energy: 0.3871389722821139
Energy: 0.3732227475451996
Energy: 0.3806625589103858
Energy: 0.39052112376814563
Energy: 0.39107952763094234
Energy: 0.3707720709124594
Energy: 0.3734309109567301
Energy: 0.3811194598443419
Energy: 0.3745021838556469
Energy: 0.3676295320994166
Energy: 0.3846082751940468
Energy: 0.39043757271974294
Energy: 0.38123526206598723
Energy: 0.37444191488120093
Energy: 0.3668850393734944
Energy: 0.38403157604579224
Energy: 0.3902515898644031
Energy: 0.3809255857118738
Energy: 0.4052477259643314
Energy: 0.38335789879408294
Energy: 0.3810114555498156
Energy: 0.3737671764288019
Energy: 0.3882717984951839
Energy: 0.39060545533239804
Energy: 0.3840305457353337
Energy: 0.3786206418173158
Energy: 0.37426074061696585
Energy: 0.38967862873652404
Energy: 0.3863238599319011
Energy: 0.37370038440744946
Energy: 0.3877794573213717
Energy: 0.38545464800203844
Energy: 0.38732670272267944
Energy: 0.3827652739283351
Energy: 0.37333740372466445
Energy: 0.4058300575333718
Energy: 0.38601769858802193
Energy: 0.3868568668304632
Energy: 0.38691202674385133
Energy: 0.37922211574972853
Energy: 0.3910441145177947
Energy: 0.37951168328602103
Energy: 0.37425125477140603
Energy: 0.38711613469273526
Energy: 0.37848226346912406
Energy: 0.39048028952198993
Energy: 0.37908162819130337
Energy: 0.3878222130993979
Energy: 0.4046679580584136
Energy: 0.3696001368126934
Energy: 0.3868378343723749
Energy: 0.38013703639392166
Energy: 0.3838267961971491
Energy: 0.4036702260773645
Energy: 0.37019422287454345
Energy: 0.3836543421480533
Energy: 0.3797964705207015
Energy: 0.3809233314514519
Energy: 0.38158838247797583
Energy: 0.3883362530908767
Energy: 0.3901409065084485
Energy: 0.3669676688909755
Energy: 0.37025206975798447
Energy: 0.381457750579062
Energy: 0.39202206114322835
Energy: 0.3907420771645867
Energy: 0.36662612855067384
Energy: 0.3885288894871925
Energy: 0.38641426138674867
Energy: 0.37929838907232694
Energy: 0.3709994147517688
Energy: 0.40357850088323216
Energy: 0.4049710687053266
Energy: 0.38741784160153575
Energy: 0.3821958681273858
Energy: 0.4052084911409262
Energy: 0.40363873284719637
Energy: 0.39114137780070046
Energy: 0.3674744049071085
Energy: 0.4070592419029365
Energy: 0.4048975662316895
Energy: 0.38794398393911345
Energy: 0.3774850834861094
Energy: 0.36766063594199727
Energy: 0.40562146643674735
Energy: 0.3855007993134487
Energy: 0.3872499832462534
Energy: 0.3758111421540139

minimum gb energy = 0.36662612855067384 eV
minimum distance =  2.6604164244663 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.7258111372689801
Energy: 0.40474461240936116
Energy: 0.3982317107488038
Energy: 0.41354487274573376
Energy: 0.40751338456463415
Energy: 0.3931709804999467
Energy: 0.40514305320573224
Energy: 0.4023457996367119
Energy: 0.4148523597917684
Energy: 0.42510068042517835
Energy: 0.3753847875772866
Energy: 0.41332807301752145
Energy: 0.39555442478499764
Energy: 0.3993336246433972
Energy: 0.4183293312074925
Energy: 0.3821427376958552
Energy: 0.42194621179203995
Energy: 0.396263020397727
Energy: 0.4280447901607937
Energy: 0.38608824615942816
Energy: 0.3913168581998828
Energy: 0.4146884976903514
Energy: 0.4053968650975785
Energy: 0.3971036280553577
Energy: 0.4019453118113901
Energy: 0.4244723991553708
Energy: 0.4086001666957944
Energy: 0.40694859030735653
Energy: 0.3887690930601521
Energy: 0.4026964862776246
Energy: 0.3914977273104571
Energy: 0.38736146956375755
Energy: 0.4210581980064447
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Energy: 0.41806196217609737
Energy: 0.44799139497375323
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Energy: 0.41500092146415984
Energy: 0.3909994260719241
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Energy: 0.39637734568765043
Energy: 0.3862157311771171
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Energy: 0.38606018472150266
Energy: 0.38751843398072466
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Energy: 0.3951339026759399
Energy: 0.38545513703754136
Energy: 0.38823159980123906
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Energy: 0.3871149485860221
Energy: 0.41293212363014326
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Energy: 0.38578487855260035
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Energy: 0.39518574744663615
Energy: 0.40876286299262954
Energy: 0.40689235440018046
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Energy: 0.394269490803235
Energy: 0.39075394983666584
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Energy: 0.40468710219657583
Energy: 0.3852693875019663
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Energy: 0.38890077358477027
Energy: 0.4202444487544826
Energy: 0.3915979168222583
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Energy: 0.42054478751225904
Energy: 0.40973220585987413
Energy: 0.395825087536846
Energy: 0.3901011755949018
Energy: 0.394246522819964
Energy: 0.4209417728274453
Energy: 0.3989050548065148
Energy: 0.3960485938633441
Energy: 0.4216449793742719
Energy: 0.3941060715634954
Energy: 0.3927899705817322
Energy: 0.39352339310951634
Energy: 0.398983860481476
Energy: 0.40611340508305815
Energy: 0.39359490110710216
Energy: 0.3968032707274983
Energy: 0.39519015743211705
Energy: 0.40084705398002524
Energy: 0.40207983369343153
Energy: 0.39453820480135865
Energy: 0.38590646335156925
Energy: 0.39197968848378373
Energy: 0.38930248388049776
Energy: 0.41279812915547925
Energy: 0.39388514717595885
Energy: 0.38711580799730916
Energy: 0.39188304278786534
Energy: 0.38919918847159546
Energy: 0.4517744850548557
Energy: 0.41865801264962776
Energy: 0.3890113011113017
Energy: 0.40247973771291246
Energy: 0.4398400991636962
Energy: 0.45031137952229294
Energy: 0.4318880000573133
Energy: 0.38756042339067404
Energy: 0.401257536656376
Energy: 0.4454906944832629
Energy: 0.40433876315373796
Energy: 0.41567698800725733
Energy: 0.41832041623735555
Energy: 0.4173557379434334
Energy: 0.4093671588767408
Energy: 0.41466291972141994
Energy: 0.4162426451878322
Energy: 0.41811600142580846
Energy: 0.4166776811163725
Energy: 0.40847828572104633
Energy: 0.40391478646327184
Energy: 0.43066712509040517
Energy: 0.4069571676012855
Energy: 0.41220574455006476
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Energy: 0.4039434134885226
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Energy: 0.3957082519806729
Energy: 0.38797065591869945
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Energy: 0.4064870956872748
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Energy: 0.3875732968465845
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Energy: 0.40227683690344596
Energy: 0.4311221503033314
Energy: 0.38633802221220503
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Energy: 0.3881876745600864
Energy: 0.4001838445128234
Energy: 0.41740586071613245
Energy: 0.38903731426927224
Energy: 0.38736307289097366
Energy: 0.41742692876075416
Energy: 0.39121856684941153
Energy: 0.39602104848150504
Energy: 0.38895172385373694
Energy: 0.422926553798628
Energy: 0.41595733724955186
Energy: 0.3901450064277082
Energy: 0.3925078473990646
Energy: 0.39661596340859473
Energy: 0.4242790400764019
Energy: 0.3867128349090124
Energy: 0.3882899692239955
Energy: 0.42042810995037627
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Energy: 0.3885211144508506
Energy: 0.38156581824571006
Energy: 0.3827650290552599
Energy: 0.42440169528132826
Energy: 0.39419774154806436
Energy: 0.39063600821145633
Energy: 0.3919686852580823
Energy: 0.38774203456546774
Energy: 0.3862076304786325
Energy: 0.4021749523988535
Energy: 0.38323885961031895
Energy: 0.3919193279503058
Energy: 0.3927098199004457
Energy: 0.39850036401452915
Energy: 0.4069147602752044
Energy: 0.3887700634034772
Energy: 0.38886248994586725
Energy: 0.3851983161837455
Energy: 0.39774244041970513
Energy: 0.44190236645714853
Energy: 0.40255511694217416
Energy: 0.38212326131359714
Energy: 0.3859132127079526
Energy: 0.3978129691899501
Energy: 0.42763417259383524
Energy: 0.3967426132739189
Energy: 0.39794435597139083
Energy: 0.4293239583803811
Energy: 0.4144072022382594
Energy: 0.43308048795121473
Energy: 0.37856638740428855
Energy: 0.3920172310520179
Energy: 0.4259406602381165
Energy: 0.40771084965686294
Energy: 0.3970702175303512
Energy: 0.37991238113655096

minimum gb energy = 0.37521164206635277 eV
minimum distance =  2.58681372530394 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.5466785209744991
Energy: 0.43613299958940727
Energy: 0.39695491103194913
Energy: 0.3828218269015448
Energy: 0.4211961075633132
Energy: 0.37533620856414396
Energy: 0.40550783426924386
Energy: 0.4051644078715177
Energy: 0.4172413234163487
Energy: 0.4154231668037589
Energy: 0.4060202851155153
Energy: 0.37956607269640685
Energy: 0.37288245717088814
Energy: 0.43206226825783745
Energy: 0.37012189475408025
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Energy: 0.3703879715359887
Energy: 0.4036753698565237
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Energy: 0.4210017022157043
Energy: 0.3709752146641658
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Energy: 0.4041455561226077
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Energy: 0.42168405527181196
Energy: 0.36941091145354793
Energy: 0.4097803219225267
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Energy: 0.3696765348946741
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Energy: 0.4008879927608397
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Energy: 0.3729798256037948
Energy: 0.3722171755413217
Energy: 0.4060177561588046
Energy: 0.4096394081672257
Energy: 0.40223934482860724
Energy: 0.3692012159440425
Energy: 0.37318082819320625
Energy: 0.40059235792819575
Energy: 0.41289854974056966
Energy: 0.40477213796081374
Energy: 0.37072029839653015
Energy: 0.3739885428189374
Energy: 0.4059121433575057
Energy: 0.36797475083728765
Energy: 0.4196231521303659
Energy: 0.3806352611302461
Energy: 0.420891265437419
Energy: 0.36883713279471664
Energy: 0.36778068874586484
Energy: 0.4173833218000371
Energy: 0.38179093698217487
Energy: 0.42158578647660416
Energy: 0.3684227302100975
Energy: 0.4093104792427046
Energy: 0.37251674089189046
Energy: 0.3721695782183988
Energy: 0.3706270603292006
Energy: 0.39598702674077335
Energy: 0.40646499411930187
Energy: 0.3703382659775366
Energy: 0.3714350739400467
Energy: 0.3703941981991321
Energy: 0.3983947011342042
Energy: 0.3694192444733144
Energy: 0.36987110081312125
Energy: 0.3945977385336401
Energy: 0.4001840766492467
Energy: 0.36678274921549536
Energy: 0.36931383368430076
Energy: 0.37015241282797556
Energy: 0.39433185165819995
Energy: 0.40151125215765515
Energy: 0.37047696521369794
Energy: 0.37170296341943637
Energy: 0.37048431821829375
Energy: 0.3695382280606229
Energy: 0.3949974911485519
Energy: 0.37389760396328936
Energy: 0.3715513465179149
Energy: 0.37124830309091644
Energy: 0.3736688941478867
Energy: 0.40595547901467777
Energy: 0.3734433186688515
Energy: 0.3699520226301731
Energy: 0.36991545000705855
Energy: 0.37224650315513197
Energy: 0.37418454951293545
Energy: 0.3851128868895277
Energy: 0.3720345343242302
Energy: 0.3694354718483014
Energy: 0.3730969604755963
Energy: 0.37387378251162284
Energy: 0.41946987682613923
Energy: 0.4355474701012797
Energy: 0.3827797917566808
Energy: 0.4043132116290473
Energy: 0.371266108602917
Energy: 0.3676337452079718
Energy: 0.43649597170903354
Energy: 0.38428793123239463
Energy: 0.4044300298222781
Energy: 0.3713402731905111
Energy: 0.36989679625094957

minimum gb energy = 0.36678274921549536 eV
minimum distance =  2.65509540951206 Angstroms
sigma value = 33